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Create new SrcImplicit and SrcExplicit examples #10

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jchodera opened this issue Nov 25, 2014 · 2 comments
Open

Create new SrcImplicit and SrcExplicit examples #10

jchodera opened this issue Nov 25, 2014 · 2 comments

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@jchodera
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Something is wrong with these examples, since the hydrogens have sigma = 0. These examples no longer have their provenance information either, so they should just be regenerated.

@jchodera
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I've got a more general fix for this. Will open a PR.

@kyleabeauchamp
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I can also do this if desired, we can just copy in the data from the fah-projects repo:

https://github.com/choderalab/fah-projects/blob/master/src/equil_npt/equil_npt_final_step.pdb

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